N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide

C18H26N2O4S — CID 118771156

IUPACN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H26N2O4S/c21-17-3-1-2-14(12-17)13-18(22)19-15-4-8-20(9-5-15)16-6-10-25(23,24)11-7-16/h1-3,12,15-16,21H,4-11,13H2,(H,19,22)
InChIKeyUMXSTGYWIBTTQT-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.09
Rot. Bonds4

About N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 118771156) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
PubChem CID118771156
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NC1CCN(C2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H26N2O4S/c21-17-3-1-2-14(12-17)13-18(22)19-15-4-8-20(9-5-15)16-6-10-25(23,24)11-7-16/h1-3,12,15-16,21H,4-11,13H2,(H,19,22)
InChIKeyUMXSTGYWIBTTQT-UHFFFAOYSA-N
XLogP1.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 63921976
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-pyridin-3-ylpropanamide
CID 91773911
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
N-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 71908762
2-(3-hydroxyphenyl)-N-(4-methylcycloheptyl)acetamide
CID 102809381
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 91761634
2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide
CID 118771400
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
CID 75408371
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
CID 115675030
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide (CID 118771156) is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)NC1CCN(C2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is UMXSTGYWIBTTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-17-3-1-2-14(12-17)13-18(22)19-15-4-8-20(9-5-15)16-6-10-25(23,24)11-7-16/h1-3,12,15-16,21H,4-11,13H2,(H,19,22).
What are the key properties of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide?
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 366.48 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 118771156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).